作者: A.L. Benavides , M.A. Portillo , J.L.F. Abascal , C. Vega
DOI: 10.1080/00268976.2017.1288939
关键词:
摘要: ABSTRACTA simple empirical rule to estimate the solubility of force fields 1:1 aqueous electrolyte solutions at ambient conditions is proposed. The prescription states that logarithm can be described by a second-order polynomial chemical potential difference salt in solid and standard state solution. will denoted as . It shown recipe able provide reasonable values electrolytes (having NaCl structure phase) for number different which has been computed rigorous way. This clearly indicates reproducing only experimental free energy hydration ions infinite dilution (which yield water) not enough foresee solubility. between o...